Information card for entry 2020410

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[dichloridocobalt(II)]-bis[μ-<i>N</i>,</i>N</i>'-bis(pyridin-3-yl)oxalamide-κ^2^<i>N</i>:<i>N</i>']] dimethylformamide disolvate]
• Formula: C30 H34 Cl2 Co N10 O6
• Calculated formula: C30 H34 Cl2 Co N10 O6
• SMILES: [Co]1(Cl)(Cl)([n]2cccc(c2)NC(=O)C(=O)Nc2ccc[n](c2)[Co](Cl)(Cl)[n]2cccc(NC(=O)C(=O)Nc3ccc[n]1c3)c2)([n]1cccc(c1)NC(=O)C(=O)NCc1cccnc1)[n]1cccc(c1)NC(=O)C(=O)NCc1cccnc1.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C
• Title of publication: Two cobalt(II) supramolecular isomers based on <i>N</i>,<i>N</i>'-bis(pyridin-3-yl)oxalamide induced by the molecular orientation of lattice DMF molecules
• Authors of publication: Zhong, Di-Chang; Wen, Ya-Qiong; Deng, Ji-Hua; Jian, Tao-Hua; Wang, Ke-Jun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 170 - 173
• a: 8.5194 ± 0.0003 Å
• b: 10.0059 ± 0.0003 Å
• c: 10.2685 ± 0.0003 Å
• α: 82.304 ± 0.003°
• β: 84.182 ± 0.002°
• γ: 78.163 ± 0.002°
• Cell volume: 846.53 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes